ethyl 2,2,3,3,4,4,5,5-octafluoropentyl carbonate

C8H8F8O3 — CID 14533042

IUPACethyl 2,2,3,3,4,4,5,5-octafluoropentyl carbonate
SMILESCCOC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C8H8F8O3/c1-2-18-5(17)19-3-6(11,12)8(15,16)7(13,14)4(9)10/h4H,2-3H2,1H3
InChIKeyPYPPGYIZUDZLAD-UHFFFAOYSA-N
MW304.13 g/mol
LogP3.33
Rot. Bonds6

About ethyl 2,2,3,3,4,4,5,5-octafluoropentyl carbonate

ethyl 2,2,3,3,4,4,5,5-octafluoropentyl carbonate (PubChem CID 14533042) has the molecular formula C8H8F8O3 and a molecular weight of 304.13 g/mol. Its IUPAC name is ethyl 2,2,3,3,4,4,5,5-octafluoropentyl carbonate.

Molecular Properties

Compound Nameethyl 2,2,3,3,4,4,5,5-octafluoropentyl carbonate
PubChem CID14533042
Molecular FormulaC8H8F8O3
Molecular Weight304.13 g/mol
Exact Mass304.03
IUPAC Nameethyl 2,2,3,3,4,4,5,5-octafluoropentyl carbonate
SMILESCCOC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C8H8F8O3/c1-2-18-5(17)19-3-6(11,12)8(15,16)7(13,14)4(9)10/h4H,2-3H2,1H3
InChIKeyPYPPGYIZUDZLAD-UHFFFAOYSA-N
XLogP3.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.13
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

Bis(2,2,3,3,4,4,4-heptafluorobutyl) carbonate
CID 11495583
2,2,3,3,4,4,4-Heptafluorobutyl methyl carbonate
CID 22104774
bis((Perfluorobutyl)ethyl) carbonate
CID 87147097
Ethyl 2,2,3,3-tetrafluoropropyl carbonate
CID 42634538
1,1,2,2,3,3,4,4-Octafluoro-5-{[(2,2,3,3,4,4,5,5-octafluoropentyl)oxy]methoxy}pentane
CID 618624
Bis(2,2,3,3,4,4,5,5-octafluoropentyl)carbonate
CID 14090569
[Bis(octafluoro-amyloxy)methane]
CID 129763202
Bis(octafluoroamyl) carbonate
CID 176490264
1,1,1,2,2,3,3,4,4-Nonafluoro-5-(2,2,3,3,4,4,5,5,5-nonafluoropentoxymethoxymethoxy)pentane
CID 23264802
1,1,2,2,3,3,4,4-Octafluoro-5-({[(2,2,3,3,4,4,5,5-octafluoropentyl)oxy]methoxy}methoxy)pentane
CID 2780752
2,2,3,4,4,4-Hexafluorobutyl methyl carbonate
CID 13500162
Butyl 2,2-difluoroethyl carbonate
CID 15986042

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2,3,3,4,4,5,5-octafluoropentyl carbonate?
The IUPAC name of ethyl 2,2,3,3,4,4,5,5-octafluoropentyl carbonate (CID 14533042) is ethyl 2,2,3,3,4,4,5,5-octafluoropentyl carbonate.
What is the SMILES notation for ethyl 2,2,3,3,4,4,5,5-octafluoropentyl carbonate?
The canonical SMILES for ethyl 2,2,3,3,4,4,5,5-octafluoropentyl carbonate is CCOC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of ethyl 2,2,3,3,4,4,5,5-octafluoropentyl carbonate?
The InChIKey is PYPPGYIZUDZLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F8O3/c1-2-18-5(17)19-3-6(11,12)8(15,16)7(13,14)4(9)10/h4H,2-3H2,1H3.
What are the key properties of ethyl 2,2,3,3,4,4,5,5-octafluoropentyl carbonate?
ethyl 2,2,3,3,4,4,5,5-octafluoropentyl carbonate has a molecular weight of 304.13 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2,3,3,4,4,5,5-octafluoropentyl carbonate is sourced from PubChem (CID 14533042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).